2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid

C15H12F3NO2 — CID 84746744

IUPAC2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)C(NCc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F3NO2/c16-10-3-1-9(2-4-10)8-19-14(15(20)21)12-6-5-11(17)7-13(12)18/h1-7,14,19H,8H2,(H,20,21)
InChIKeyPCVWJHNOYJJFNQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.02
Rot. Bonds5

About 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid

2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid (PubChem CID 84746744) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
PubChem CID84746744
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)C(NCc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F3NO2/c16-10-3-1-9(2-4-10)8-19-14(15(20)21)12-6-5-11(17)7-13(12)18/h1-7,14,19H,8H2,(H,20,21)
InChIKeyPCVWJHNOYJJFNQ-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-(2,5-difluorophenyl)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]acetic acid
CID 167776127
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid
CID 82364357
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
4-[[4-(2,4-difluorophenyl)butan-2-ylamino]methyl]benzoic acid
CID 122036055

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid (CID 84746744) is 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid is O=C(O)C(NCc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
The InChIKey is PCVWJHNOYJJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-10-3-1-9(2-4-10)8-19-14(15(20)21)12-6-5-11(17)7-13(12)18/h1-7,14,19H,8H2,(H,20,21).
What are the key properties of 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid has a molecular weight of 295.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid is sourced from PubChem (CID 84746744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).